# paraelectric LiNbO3 in the displacive model (T_c=1430K)
data_nolabel
loop_
_publ_author_name
'Boysen, H.'
'Altorfer, F.'
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO3
;
_journal_name_full               'Acta Crystallographica Section B'
_journal_volume                  50
_journal_page_first              405
_journal_year                    1994
_journal_paper_doi               10.1107/S0108768193012820
_chemical_formula_sum            'LiNbO3'
_symmetry_space_group_name_H-M   'R-3c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.292(4)
_cell_length_b                   5.292(4)
_cell_length_c                   13.846(4)
_cell_formula_units_Z            6
_diffrn_ambient_temperature      1505
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Wyckoff_symbol
Li   0        0       .25       6a
Nb   0        0        0        6b
O   .060(2)  .333333  .083333   18e

# In the disorder model Li occupies (12c) positions
# The ideal perovskite is for for c/a=sqrt(6)=2.45 and x(O)=1/6
